| CAS Number | 427896-41-1 |
| Catalog Number | AG01A7YJ |
| Chemical Name | 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C9H13NO2S/c1-5-6(7(11)12)13-8(10-5)9(2,3)4/h1-4H3,(H,11,12) |
| InChI Key | YHLQWXNPKLIQMJ-UHFFFAOYSA-N |
| MDL Number | MFCD11207787 |
| Molecular Formula | C9H13NO2S |
| Molecular Weight | 199.2700 |
| SMILES | CC1=C(C(O)=O)SC(C(C)(C)C)=N1 |
| Synonyms | 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid,
427896-41-1,
MFCD11207787,
2-(tert-Butyl)-4-methylthiazole-5-carboxylic acid,
AC1Q2GEP,
SCHEMBL301204,
CTK7J1362,
ZINC36928978,
AKOS009327770,
MCULE-8924782038,
NE58823,
EN300-60194,
2-tert-Butyl-4-methylthiazole-5-carboxylic acid,
Z969560124,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.268g/mol |
| Monoisotopic Mass | 199.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number